4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile

C20H14FN3O2 — CID 90801334

IUPAC4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2cccc(F)c2)C1C#N
InChIInChI=1S/C20H14FN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,14,16,23H,1H3/b23-19-
InChIKeyDGJRCVINIXBPAN-NMWGTECJSA-N
MW347.35 g/mol
LogP3.32
Rot. Bonds1

About 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile

4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 90801334) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID90801334
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2cccc(F)c2)C1C#N
InChIInChI=1S/C20H14FN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,14,16,23H,1H3/b23-19-
InChIKeyDGJRCVINIXBPAN-NMWGTECJSA-N
XLogP3.32
TPSA78.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-4-(3-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4919815
2-amino-6-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920235
2-amino-4-(3-bromo-4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 24853533
4-(3-fluorophenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 6323989
6-methyl-4-phenyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920638
4-(2-fluorophenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 6323985
4-(4-ethylphenyl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4920667
4-(4-fluorophenyl)-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 6324186
4-(3-fluorophenyl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4974994
(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione
CID 5319348
2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 2844701
6-methyl-4-[4-(trifluoromethyl)phenyl]-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
CID 4907766

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile (CID 90801334) is 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile is [H]/N=C1\Oc2c(c(=O)n(C)c3ccccc23)C(c2cccc(F)c2)C1C#N.
What is the InChIKey of 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is DGJRCVINIXBPAN-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-24-15-8-3-2-7-13(15)18-17(20(24)25)16(14(10-22)19(23)26-18)11-5-4-6-12(21)9-11/h2-9,14,16,23H,1H3/b23-19-.
What are the key properties of 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-imino-6-methyl-5-oxo-3,4-dihydropyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 90801334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).